Known targets — ChEMBL curated mechanism
ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA
The experimentally established mechanism targets of Hydrochloric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LIPG | Q9Y5X9 | 13/20 | 0.61 |
| ▸ | LPL | P06858 | 12/20 | 0.61 |
| ▸ | F11 | P03951 | 2/20 | 0.57 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.49 |
| ▸ | CA1 | P00915 | 3/20 | 0.46 |
| ▸ | CA2 | P00918 | 3/20 | 0.46 |
| ▸ | CA9 | Q16790 | 3/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA3 | P07451 | 1/20 | 0.46 |
| ▸ | CA4 | P22748 | 1/20 | 0.46 |
| ▸ | CA6 | P23280 | 1/20 | 0.46 |
| ▸ | CA5A | P35218 | 1/20 | 0.46 |
| ▸ | CA7 | P43166 | 1/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.46 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.46 |
| ▸ | F2 | P00734 | 1/20 | 0.44 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.44 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.44 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.44 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL171778 | 0.96 | LIPG (0.65) | LIPGLPLF11ESR2CA1 | |
| Hydrochloric Acid SCHEMBL1585363 | 0.94 | LIPG (0.62) | LIPGLPLF11ESR2CA1 | |
| SCHEMBL23085216 | 0.83 | LIPG (0.50) | LIPGLPLF11ESR2CA1 | |
| SCHEMBL3128892 | 0.81 | LPL (0.71) | LIPGLPLF11ESR2CA1 | |
| SCHEMBL15432466 | 0.80 | LPL (0.69) | LIPGLPLF11ESR2CA1 | |
| SCHEMBL10006068 | 0.80 | LIPG (0.81) | LIPGLPLF11ESR2CA1 | |
| SCHEMBL228212 | 0.79 | LPL (0.71) | LIPGLPLF11ESR2CA1 | |
| SCHEMBL31329315 | 0.79 | LPL (0.71) | LIPGLPLF11ESR2CA1 | |
| SCHEMBL31329303 | 0.79 | ESR2 (0.57) | LIPGLPLF11ESR2 | |
| SCHEMBL1331631 | 0.79 | LIPG (0.63) | LIPGLPLF11 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9266834-B2 | 1, 4-disubstituted 3-cyano-pyridone derivatives and their use as positive allosteric modulators of MGLUR2-receptors | Janssen Pharmaceuticals, Inc. (US) | 2016-02-23 | — | — | US | disclosed |
| EP-2426125-B1 | 1,4 disubstituted 3 cyano pyridone derivatives and their use as positive allosteric modulators of mGluR2 receptors | JANSSEN PHARMACEUTICALS INC (US) | 2015-12-02 | — | — | EP | disclosed |
| CN-103012259-B | Isosorbide-5-Nitrae-disubstituted 3-cyano-pyridone derivatives and the purposes as MGLUR2 receptor positive allosteric modulators thereof | ORTHO MCNEIL JANSSEN PHARM (US) | 2015-10-28 | — | — | CN | disclosed |
| US-20140315903-A1 | 1, 4-Disubstituted 3-Cyano-Pyridone Derivatives and Their Use As Positive Allosteric Modulators of MGLUR2-Receptors | JANSSEN PHARMACEUTICALS INC (US) | 2014-10-23 | — | — | US | disclosed |
| US-8841323-B2 | 1, 4-disubstituted 3-cyano-pyridone derivatives and their use as positive allosteric modulators of MGLUR2-receptors | Janssen Pharmaceuticals, Inc. (US) | 2014-09-23 | — | — | US | disclosed |
| EP-1994004-B9 | 1,4-DISUBSTITUTED 3-CYANO-PYRIDONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS | JANSSEN PHARMACEUTICALS INC (US) | 2013-04-17 | — | — | EP | disclosed |
| CN-103012259-A | 1, 4-disubstituted 3-cyano-pyridone derivatives and their use as positive allosteric modulators of MGLUR2-receptors | JANSSEN PHARMACEUTICA NV | 2013-04-03 | — | — | CN | disclosed |
| EP-1994004-B1 | 1,4-DISUBSTITUTED 3-CYANO-PYRIDONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS | JANSSEN PHARMACEUTICALS INC (US) | 2012-08-01 | — | — | EP | disclosed |
| EP-2426125-A1 | 1,4 disubstituted 3 cyano pyridone derivatives and their use as positive allosteric modulators of mGluR2 receptors | Ortho-McNeil-Janssen Pharmaceuticals, Inc. (US) | 2012-03-07 | — | — | EP | disclosed |
| US-20100166655-A1 | 1, 4-DISUBSTITUTED 3-CYANO-PYRIDONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS | JANSSEN PHARMACEUTICA N.V. (BE) | 2010-07-01 | — | — | US | disclosed |
| CN-101400654-A | 1, 4-disubstituted 3-cyano-pyridone derivatives and their use as positive allosteric modulators of MGLUR2 receptors | ORTHO MCNEIL JANSSEN PHARM (US) | 2009-04-01 | — | — | CN | disclosed |
| EP-1994004-A2 | 1,4-DISUBSTITUTED 3-CYANO-PYRIDONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS | Ortho-McNeil-Janssen Pharmaceuticals, Inc. (US) | 2008-11-26 | — | — | EP | disclosed |
| WO-2007104783-A2 | 1,4 -DI SUBSTITUTED 3-CYANO-PYRIDONE DERIVATIVES AND THEIR USE AS POSITIVE MGLUR2-RECEPT0R MODULATORS | ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC. (US) | 2007-09-20 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20140315903-A1 | 1, 4-Disubstituted 3-Cyano-Pyridone Derivatives and Their Use As Positive Allosteric Modulators of MGLUR2-Receptors | GRM2, GRM1, GRM3 | LIPG 4593/4885LPL 3999/4885F11 4013/4885 |
| US-20100166655-A1 | 1, 4-DISUBSTITUTED 3-CYANO-PYRIDONE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2-RECEPTORS | GRM2, GRM1, GRM3 | LIPG 4587/4885LPL 3988/4885F11 3998/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.